2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide

Systemtic Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-bis(oxidanylidene)-7-propyl-purin-1-yl]-N-(2-methoxy-5-methyl-phenyl)ethanamide Openeye Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-purin-1-yl]-N-(2-methoxy-5-methyl-phenyl)acetamide CAS Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propyl-1-purinyl]-N-(2-methoxy-5-methylphenyl)acetamide IUPAC Name: 2-[3-butyl-8-(hydroxymethyl)-2,6-dioxo-7-propylpurin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide Traditional Name: 2-(3-butyl-2,6-diketo-8-methylol-7-propyl-purin-1-yl)-N-(2-methoxy-5-methyl-phenyl)acetamide Formula: C23H31N5O5 MolecularWeight: 457.52274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CC(=C3)C)OC)N(C(=N2)CO)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC(=O)NC3=C(C=CC(=C3)C)OC)N(C(=N2)CO)CCC

InChI

InChI=1S/C23H31N5O5/c1-5-7-11-27-21-20(26(10-6-2)18(14-29)25-21)22(31)28(23(27)32)13-19(30)24-16-12-15(3)8-9-17(16)33-4/h8-9,12,29H,5-7,10-11,13-14H2,1-4H3,(H,24,30)